(2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

C11H15N5O4 — CID 101413495

IUPAC(2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1nc(-c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N)no1
InChIInChI=1S/C11H15N5O4/c1-5-14-11(15-20-5)9-10(12)16(4-13-9)8-2-6(18)7(3-17)19-8/h4,6-8,17-18H,2-3,12H2,1H3/t6-,7+,8+/m0/s1
InChIKeyHEUPXTLRVGWVCL-XLPZGREQSA-N
MW281.27 g/mol
LogP-0.54
Rot. Bonds3

About (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 101413495) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID101413495
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name(2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1nc(-c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N)no1
InChIInChI=1S/C11H15N5O4/c1-5-14-11(15-20-5)9-10(12)16(4-13-9)8-2-6(18)7(3-17)19-8/h4,6-8,17-18H,2-3,12H2,1H3/t6-,7+,8+/m0/s1
InChIKeyHEUPXTLRVGWVCL-XLPZGREQSA-N
XLogP-0.54
TPSA132.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol with MolForge

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Related Compounds

5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 123259314
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
5-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carbohydrazide
CID 10563073
(2R,3S,5R)-5-(4-amino-7-methylimidazo[4,5-c]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10934328
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propan-2-ylpurin-6-one
CID 68772844
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
(2R,3S,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10933976
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2R,3S)-5-(6-fluoropurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90951411
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;butanedioic acid
CID 53241413
(2R,5R)-5-(6-amino-2-iodopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 57002489

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 101413495) is (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is Cc1nc(-c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N)no1.
What is the InChIKey of (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is HEUPXTLRVGWVCL-XLPZGREQSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-5-14-11(15-20-5)9-10(12)16(4-13-9)8-2-6(18)7(3-17)19-8/h4,6-8,17-18H,2-3,12H2,1H3/t6-,7+,8+/m0/s1.
What are the key properties of (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 281.27 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 101413495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).